Geometry & MOs

Info

ID:	261738
PubChem CID:	103248360
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	5.95
IP(EA), eV:	-9.76(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-cyano-2-methylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC(C)NC(C1CC1)C(=O)O

DOS

IR

Vibrations